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]+ 248.15059 156.5
[M+Na]+ 270.13253 165.0
[M-H]- 246.13603 159.6
[M+NH4]+ 265.17713 170.6
[M+K]+ 286.10647 162.8
[M+H-H2O]+ 230.14057 145.9
[M+HCOO]- 292.14151 178.7
[M+CH3COO]- 306.15716 199.5
[M+Na-2H]- 268.11798 161.3
[M]+ 247.14276 160.4
[M]- 247.14386 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.