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]+ 170.14003 140.6
[M+Na]+ 192.12197 149.5
[M-H]- 168.12547 138.9
[M+NH4]+ 187.16657 157.5
[M+K]+ 208.09591 147.9
[M+H-H2O]+ 152.13001 132.5
[M+HCOO]- 214.13095 160.1
[M+CH3COO]- 228.14660 181.6
[M+Na-2H]- 190.10742 146.5
[M]+ 169.13220 140.6
[M]- 169.13330 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.