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]+ 155.092736 130.8
[M+Na]+ 177.074678 137.6
[M-H]- 153.078184 129.4
[M+NH4]+ 172.119283 140.4
[M+K]+ 193.048618 137.9
[M+H-H2O]+ 137.082720 117.4
[M+HCOO]- 199.083661 147.2
[M+CH3COO]- 213.099311 173.5
[M+Na-2H]- 175.060126 135.5
[M]+ 154.08491142 136.1
[M]- 154.08600858 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.