CID 75485535

2172548-13-7

Structural Information

Molecular Formula
C6H10N4O
SMILES
C1C(CN1)N2C=C(N=N2)CO
InChI
InChI=1S/C6H10N4O/c11-4-5-3-10(9-8-5)6-1-7-2-6/h3,6-7,11H,1-2,4H2
InChIKey
VUPXRFREZQRQCV-UHFFFAOYSA-N
Compound name
[1-(azetidin-3-yl)triazol-4-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

154.08546 Da
Monoisotopic Mass

-1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.09274 130.8
[M+Na]+ 177.07468 137.6
[M-H]- 153.07818 129.4
[M+NH4]+ 172.11928 140.4
[M+K]+ 193.04862 137.9
[M+H-H2O]+ 137.08272 117.4
[M+HCOO]- 199.08366 147.2
[M+CH3COO]- 213.09931 173.5
[M+Na-2H]- 175.06013 135.5
[M]+ 154.08491 136.1
[M]- 154.08601 136.1
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.