CID 122151360

{5h,6h,7h,8h,9h-[1,2,3,4]tetrazolo[1,5-a]azepin-7-yl}methanol

Structural Information

Molecular Formula
C7H12N4O
SMILES
C1CC2=NN=NN2CCC1CO
InChI
InChI=1S/C7H12N4O/c12-5-6-1-2-7-8-9-10-11(7)4-3-6/h6,12H,1-5H2
InChIKey
CYLRMVXIQZFBIV-UHFFFAOYSA-N
Compound name
6,7,8,9-tetrahydro-5H-tetrazolo[1,5-a]azepin-7-ylmethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

168.1011 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.10838 132.9
[M+Na]+ 191.09032 139.9
[M-H]- 167.09382 132.1
[M+NH4]+ 186.13492 149.0
[M+K]+ 207.06426 140.9
[M+H-H2O]+ 151.09836 123.1
[M+HCOO]- 213.09930 148.9
[M+CH3COO]- 227.11495 144.1
[M+Na-2H]- 189.07577 138.9
[M]+ 168.10055 127.9
[M]- 168.10165 127.9
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.