CID 4639256

2-methyl-1-(2h-1,2,3,4-tetrazol-5-yl)propan-1-amine

Structural Information

Molecular Formula
C5H11N5
SMILES
CC(C)C(C1=NNN=N1)N
InChI
InChI=1S/C5H11N5/c1-3(2)4(6)5-7-9-10-8-5/h3-4H,6H2,1-2H3,(H,7,8,9,10)
InChIKey
GSAPQYNJBHTIOJ-UHFFFAOYSA-N
Compound name
2-methyl-1-(2H-tetrazol-5-yl)propan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

19
Patents

141.10144 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 142.10872 131.0
[M+Na]+ 164.09066 138.3
[M-H]- 140.09416 127.7
[M+NH4]+ 159.13526 147.6
[M+K]+ 180.06460 137.0
[M+H-H2O]+ 124.09870 122.5
[M+HCOO]- 186.09964 149.3
[M+CH3COO]- 200.11529 174.0
[M+Na-2H]- 162.07611 135.3
[M]+ 141.10089 127.4
[M]- 141.10199 127.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe