CID 3074494

2h-tetrazole-2-ethanamine, n,n-dimethyl-5-(4-methoxyphenyl)-, monohydrochloride

Structural Information

Molecular Formula
C12H17N5O
SMILES
CN(C)CCN1N=C(N=N1)C2=CC=C(C=C2)OC
InChI
InChI=1S/C12H17N5O/c1-16(2)8-9-17-14-12(13-15-17)10-4-6-11(18-3)7-5-10/h4-7H,8-9H2,1-3H3
InChIKey
JPAMLOWQBLXPLJ-UHFFFAOYSA-N
Compound name
2-[5-(4-methoxyphenyl)tetrazol-2-yl]-N,N-dimethylethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

247.14331 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.150586 156.5
[M+Na]+ 270.132528 165.0
[M-H]- 246.136034 159.6
[M+NH4]+ 265.177133 170.6
[M+K]+ 286.106468 162.8
[M+H-H2O]+ 230.140570 145.9
[M+HCOO]- 292.141511 178.7
[M+CH3COO]- 306.157161 199.5
[M+Na-2H]- 268.117976 161.3
[M]+ 247.14276142 160.4
[M]- 247.14385858 160.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.