CID 126972725

3-amino-n-(2-methyl-2h-1,2,3,4-tetrazol-5-yl)propanamide hydrochloride

Structural Information

Molecular Formula
C5H10N6O
SMILES
CN1N=C(N=N1)NC(=O)CCN
InChI
InChI=1S/C5H10N6O/c1-11-9-5(8-10-11)7-4(12)2-3-6/h2-3,6H2,1H3,(H,7,9,12)
InChIKey
KVUJFNLIVJPZTJ-UHFFFAOYSA-N
Compound name
3-amino-N-(2-methyltetrazol-5-yl)propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

170.09161 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.09889 135.3
[M+Na]+ 193.08083 143.7
[M-H]- 169.08433 133.8
[M+NH4]+ 188.12543 151.4
[M+K]+ 209.05477 142.4
[M+H-H2O]+ 153.08887 126.4
[M+HCOO]- 215.08981 157.6
[M+CH3COO]- 229.10546 182.3
[M+Na-2H]- 191.06628 141.1
[M]+ 170.09106 134.5
[M]- 170.09216 134.5
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.