CID 12830634

80251-76-9

Structural Information

Molecular Formula
C2H4N4O
SMILES
C(C1=NNN=N1)O
InChI
InChI=1S/C2H4N4O/c7-1-2-3-5-6-4-2/h7H,1H2,(H,3,4,5,6)
InChIKey
CHMNRJCRDOWYLX-UHFFFAOYSA-N
Compound name
2H-tetrazol-5-ylmethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

360
Patents

100.03851 Da
Monoisotopic Mass

-1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 101.04579 116.6
[M+Na]+ 123.02773 126.1
[M-H]- 99.031234 112.5
[M+NH4]+ 118.07233 134.7
[M+K]+ 139.00167 124.5
[M+H-H2O]+ 83.035770 109.0
[M+HCOO]- 145.03671 136.0
[M+CH3COO]- 159.05236 158.5
[M+Na-2H]- 121.01318 124.7
[M]+ 100.03796 114.3
[M]- 100.03906 114.3
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