CID 83382957

1-(3-isocyanatophenyl)-n,n-dimethylmethanamine

Structural Information

Molecular Formula
C10H12N2O
SMILES
CN(C)CC1=CC(=CC=C1)N=C=O
InChI
InChI=1S/C10H12N2O/c1-12(2)7-9-4-3-5-10(6-9)11-8-13/h3-6H,7H2,1-2H3
InChIKey
CVQPWOAQBMGTLS-UHFFFAOYSA-N
Compound name
1-(3-isocyanatophenyl)-N,N-dimethylmethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

176.09496 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.10224 136.6
[M+Na]+ 199.08418 144.1
[M-H]- 175.08768 143.3
[M+NH4]+ 194.12878 157.7
[M+K]+ 215.05812 143.5
[M+H-H2O]+ 159.09222 129.8
[M+HCOO]- 221.09316 165.6
[M+CH3COO]- 235.10881 190.9
[M+Na-2H]- 197.06963 144.0
[M]+ 176.09441 138.9
[M]- 176.09551 138.9
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.