CID 29342

Carbamic acid, methylnitroso-, m-cumenyl ester

Structural Information

Molecular Formula
C11H14N2O3
SMILES
CC(C)C1=CC(=CC=C1)OC(=O)N(C)N=O
InChI
InChI=1S/C11H14N2O3/c1-8(2)9-5-4-6-10(7-9)16-11(14)13(3)12-15/h4-8H,1-3H3
InChIKey
AJHKCJXLTDAPCQ-UHFFFAOYSA-N
Compound name
(3-propan-2-ylphenyl) N-methyl-N-nitrosocarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

222.10045 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.10773 148.2
[M+Na]+ 245.08967 154.6
[M-H]- 221.09317 154.8
[M+NH4]+ 240.13427 167.2
[M+K]+ 261.06361 155.9
[M+H-H2O]+ 205.09771 140.9
[M+HCOO]- 267.09865 175.3
[M+CH3COO]- 281.11430 199.2
[M+Na-2H]- 243.07512 152.6
[M]+ 222.09990 152.4
[M]- 222.10100 152.4
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