CID 61852618

Tert-butyl n-[1-(2h-1,2,3,4-tetrazol-5-yl)ethyl]carbamate

Structural Information

Molecular Formula
C8H15N5O2
SMILES
CC(C1=NNN=N1)NC(=O)OC(C)(C)C
InChI
InChI=1S/C8H15N5O2/c1-5(6-10-12-13-11-6)9-7(14)15-8(2,3)4/h5H,1-4H3,(H,9,14)(H,10,11,12,13)
InChIKey
SSHHKGHLLSXENO-UHFFFAOYSA-N
Compound name
tert-butyl N-[1-(2H-tetrazol-5-yl)ethyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

213.12257 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.12985 150.0
[M+Na]+ 236.11179 156.8
[M-H]- 212.11529 147.4
[M+NH4]+ 231.15639 164.1
[M+K]+ 252.08573 155.9
[M+H-H2O]+ 196.11983 141.8
[M+HCOO]- 258.12077 167.0
[M+CH3COO]- 272.13642 185.1
[M+Na-2H]- 234.09724 154.7
[M]+ 213.12202 149.8
[M]- 213.12312 149.8
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