CID 146166915

4-[(3h-diazirin-3-yl)methyl]phenol

Structural Information

Molecular Formula
C8H8N2O
SMILES
C1=CC(=CC=C1CC2N=N2)O
InChI
InChI=1S/C8H8N2O/c11-7-3-1-6(2-4-7)5-8-9-10-8/h1-4,8,11H,5H2
InChIKey
HHBPBYMJSLJIEL-UHFFFAOYSA-N
Compound name
4-(3H-diazirin-3-ylmethyl)phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

148.06366 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 149.070936 133.9
[M+Na]+ 171.052878 145.2
[M-H]- 147.056384 138.0
[M+NH4]+ 166.097483 147.3
[M+K]+ 187.026818 141.2
[M+H-H2O]+ 131.060920 126.2
[M+HCOO]- 193.061861 157.0
[M+CH3COO]- 207.077511 176.1
[M+Na-2H]- 169.038326 142.4
[M]+ 148.06311142 136.6
[M]- 148.06420858 136.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe