CID 167719397

2-(2-tert-butyl-2h-1,2,3,4-tetrazol-5-yl)ethan-1-amine

Structural Information

Molecular Formula
C7H15N5
SMILES
CC(C)(C)N1N=C(N=N1)CCN
InChI
InChI=1S/C7H15N5/c1-7(2,3)12-10-6(4-5-8)9-11-12/h4-5,8H2,1-3H3
InChIKey
IZCZGISXSXGRFG-UHFFFAOYSA-N
Compound name
2-(2-tert-butyltetrazol-5-yl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

169.13275 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.140026 140.6
[M+Na]+ 192.121968 149.5
[M-H]- 168.125474 138.9
[M+NH4]+ 187.166573 157.5
[M+K]+ 208.095908 147.9
[M+H-H2O]+ 152.130010 132.5
[M+HCOO]- 214.130951 160.1
[M+CH3COO]- 228.146601 181.6
[M+Na-2H]- 190.107416 146.5
[M]+ 169.13220142 140.6
[M]- 169.13329858 140.6
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.