CID 4351772

77985-19-4

Structural Information

Molecular Formula
C15H21ClN2O
SMILES
CC1=C(C(=CC=C1)Cl)NC(=O)CC(C)N2CCCC2
InChI
InChI=1S/C15H21ClN2O/c1-11-6-5-7-13(16)15(11)17-14(19)10-12(2)18-8-3-4-9-18/h5-7,12H,3-4,8-10H2,1-2H3,(H,17,19)
InChIKey
XBJKYRAEEGVECH-UHFFFAOYSA-N
Compound name
N-(2-chloro-6-methylphenyl)-3-pyrrolidin-1-ylbutanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

280.13425 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.14153 167.8
[M+Na]+ 303.12347 173.3
[M-H]- 279.12697 172.5
[M+NH4]+ 298.16807 184.7
[M+K]+ 319.09741 168.6
[M+H-H2O]+ 263.13151 160.4
[M+HCOO]- 325.13245 183.3
[M+CH3COO]- 339.14810 201.3
[M+Na-2H]- 301.10892 166.8
[M]+ 280.13370 167.2
[M]- 280.13480 167.2
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