CID 122360901

(3-methyl-3h-diazirin-3-yl)methanol

Structural Information

Molecular Formula
C3H6N2O
SMILES
CC1(N=N1)CO
InChI
InChI=1S/C3H6N2O/c1-3(2-6)4-5-3/h6H,2H2,1H3
InChIKey
RIFDUEMPDUTSHB-UHFFFAOYSA-N
Compound name
(3-methyldiazirin-3-yl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

86.04801 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 87.055286 121.2
[M+Na]+ 109.037228 133.0
[M-H]- 85.040734 122.8
[M+NH4]+ 104.081833 139.0
[M+K]+ 125.011168 131.8
[M+H-H2O]+ 69.045270 115.7
[M+HCOO]- 131.046211 143.8
[M+CH3COO]- 145.061861 164.6
[M+Na-2H]- 107.022676 131.3
[M]+ 86.04746142 124.8
[M]- 86.04855858 124.8
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