CID 13789242

1803596-39-5

Structural Information

Molecular Formula
C3H7N5
SMILES
CN1C(=NN=N1)CN
InChI
InChI=1S/C3H7N5/c1-8-3(2-4)5-6-7-8/h2,4H2,1H3
InChIKey
SQVYHZOAHYEQME-UHFFFAOYSA-N
Compound name
(1-methyltetrazol-5-yl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

27
Patents

113.070145 Da
Monoisotopic Mass

-1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 114.077421 120.7
[M+Na]+ 136.059363 130.8
[M-H]- 112.062869 119.1
[M+NH4]+ 131.103968 139.5
[M+K]+ 152.033303 129.8
[M+H-H2O]+ 96.067405 112.5
[M+HCOO]- 158.068346 143.0
[M+CH3COO]- 172.083996 169.9
[M+Na-2H]- 134.044811 128.1
[M]+ 113.06959642 119.8
[M]- 113.07069358 119.8
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

patents stripe