CID 19938450

31603-07-3

Structural Information

Molecular Formula
C6H13N5
SMILES
CC(C)CC(C1=NNN=N1)N
InChI
InChI=1S/C6H13N5/c1-4(2)3-5(7)6-8-10-11-9-6/h4-5H,3,7H2,1-2H3,(H,8,9,10,11)
InChIKey
AGSAKIVVCZROSV-UHFFFAOYSA-N
Compound name
3-methyl-1-(2H-tetrazol-5-yl)butan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

39
Patents

155.1171 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 156.124376 135.4
[M+Na]+ 178.106318 142.3
[M-H]- 154.109824 132.0
[M+NH4]+ 173.150923 151.4
[M+K]+ 194.080258 140.7
[M+H-H2O]+ 138.114360 126.7
[M+HCOO]- 200.115301 153.4
[M+CH3COO]- 214.130951 176.9
[M+Na-2H]- 176.091766 139.2
[M]+ 155.11655142 132.1
[M]- 155.11764858 132.1
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