CID 23493

Nitrosocarbaryl

Structural Information

Molecular Formula
C12H10N2O3
SMILES
CN(C(=O)OC1=CC=CC2=CC=CC=C21)N=O
InChI
InChI=1S/C12H10N2O3/c1-14(13-16)12(15)17-11-8-4-6-9-5-2-3-7-10(9)11/h2-8H,1H3
InChIKey
FFSXTYIBUNXZMF-UHFFFAOYSA-N
Compound name
naphthalen-1-yl N-methyl-N-nitrosocarbamate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

15
References

27
Patents

230.06914 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.07642 146.4
[M+Na]+ 253.05836 153.8
[M-H]- 229.06186 153.8
[M+NH4]+ 248.10296 165.9
[M+K]+ 269.03230 153.7
[M+H-H2O]+ 213.06640 138.8
[M+HCOO]- 275.06734 173.9
[M+CH3COO]- 289.08299 198.8
[M+Na-2H]- 251.04381 154.9
[M]+ 230.06859 150.3
[M]- 230.06969 150.3
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