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 156.1
[M+Na]+ 270.13253 168.6
[M+NH4]+ 265.17713 162.4
[M+K]+ 286.10647 164.7
[M-H]- 246.13603 158.0
[M+Na-2H]- 268.11798 163.6
[M]+ 247.14276 158.2
[M]- 247.14386 158.2
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.