CID 131302

Prisotinol

Structural Information

Molecular Formula
C11H18N2O
SMILES
CC(C)NC(C)CC1=NC=C(C=C1)O
InChI
InChI=1S/C11H18N2O/c1-8(2)13-9(3)6-10-4-5-11(14)7-12-10/h4-5,7-9,13-14H,6H2,1-3H3
InChIKey
WQRPBKUCJBWQRT-UHFFFAOYSA-N
Compound name
6-[2-(propan-2-ylamino)propyl]pyridin-3-ol
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

2
References

136
Patents

194.1419 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.149176 146.0
[M+Na]+ 217.131118 151.7
[M-H]- 193.134624 146.8
[M+NH4]+ 212.175723 163.2
[M+K]+ 233.105058 149.7
[M+H-H2O]+ 177.139160 139.2
[M+HCOO]- 239.140101 166.4
[M+CH3COO]- 253.155751 187.1
[M+Na-2H]- 215.116566 149.8
[M]+ 194.14135142 145.0
[M]- 194.14244858 145.0
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