CID 60922576

1183378-74-6

Structural Information

Molecular Formula
C12H14N2O
SMILES
CC(C)NC1=CC2=CC=CC=C2C(=O)N1
InChI
InChI=1S/C12H14N2O/c1-8(2)13-11-7-9-5-3-4-6-10(9)12(15)14-11/h3-8H,1-2H3,(H2,13,14,15)
InChIKey
MXMXLGKWLMPMBJ-UHFFFAOYSA-N
Compound name
3-(propan-2-ylamino)-2H-isoquinolin-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

202.11061 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.11789 143.1
[M+Na]+ 225.09983 151.3
[M-H]- 201.10333 145.3
[M+NH4]+ 220.14443 161.3
[M+K]+ 241.07377 147.2
[M+H-H2O]+ 185.10787 136.4
[M+HCOO]- 247.10881 164.2
[M+CH3COO]- 261.12446 187.1
[M+Na-2H]- 223.08528 150.4
[M]+ 202.11006 141.7
[M]- 202.11116 141.7
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.