CID 30767

1-nitrosonaphthalene

Structural Information

Molecular Formula
C10H7NO
SMILES
C1=CC=C2C(=C1)C=CC=C2N=O
InChI
InChI=1S/C10H7NO/c12-11-10-7-3-5-8-4-1-2-6-9(8)10/h1-7H
InChIKey
HXOPMUIUKYURIC-UHFFFAOYSA-N
Compound name
1-nitrosonaphthalene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

256
Patents

157.05276 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 158.060036 127.1
[M+Na]+ 180.041978 136.3
[M-H]- 156.045484 133.5
[M+NH4]+ 175.086583 149.6
[M+K]+ 196.015918 134.2
[M+H-H2O]+ 140.050020 120.9
[M+HCOO]- 202.050961 154.3
[M+CH3COO]- 216.066611 181.5
[M+Na-2H]- 178.027426 138.4
[M]+ 157.05221142 128.4
[M]- 157.05330858 128.4
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