CID 67278374

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

Structural Information

Molecular Formula
C6H12N4O
SMILES
CC(C)(C)N1N=C(N=N1)CO
InChI
InChI=1S/C6H12N4O/c1-6(2,3)10-8-5(4-11)7-9-10/h11H,4H2,1-3H3
InChIKey
SUUPRICPWFJSLT-UHFFFAOYSA-N
Compound name
(2-tert-butyltetrazol-5-yl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

156.1011 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.10838 133.8
[M+Na]+ 179.09032 144.3
[M+NH4]+ 174.13492 139.6
[M+K]+ 195.06426 142.6
[M-H]- 155.09382 131.3
[M+Na-2H]- 177.07577 138.2
[M]+ 156.10055 134.3
[M]- 156.10165 134.3
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