CID 165950362

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

Structural Information

Molecular Formula
C8H8N2O
SMILES
C1=CC(=CC(=C1)O)CC2N=N2
InChI
InChI=1S/C8H8N2O/c11-7-3-1-2-6(4-7)5-8-9-10-8/h1-4,8,11H,5H2
InChIKey
GOTBERPVVOTAAU-UHFFFAOYSA-N
Compound name
3-(3H-diazirin-3-ylmethyl)phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

148.06366 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 149.07094 133.9
[M+Na]+ 171.05288 145.2
[M-H]- 147.05638 138.0
[M+NH4]+ 166.09748 147.3
[M+K]+ 187.02682 141.2
[M+H-H2O]+ 131.06092 126.2
[M+HCOO]- 193.06186 157.0
[M+CH3COO]- 207.07751 176.1
[M+Na-2H]- 169.03833 142.4
[M]+ 148.06311 136.6
[M]- 148.06421 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.