CID 213767

Brn 1540726

Structural Information

Molecular Formula
C15H21ClN2
SMILES
CCCCN1CCCC1=NC2=C(C=C(C=C2)Cl)C
InChI
InChI=1S/C15H21ClN2/c1-3-4-9-18-10-5-6-15(18)17-14-8-7-13(16)11-12(14)2/h7-8,11H,3-6,9-10H2,1-2H3
InChIKey
YJYULJPUGIDSLX-UHFFFAOYSA-N
Compound name
1-butyl-N-(4-chloro-2-methylphenyl)pyrrolidin-2-imine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

23
Patents

264.1393 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.14658 164.5
[M+Na]+ 287.12852 172.0
[M-H]- 263.13202 170.5
[M+NH4]+ 282.17312 183.1
[M+K]+ 303.10246 166.6
[M+H-H2O]+ 247.13656 156.8
[M+HCOO]- 309.13750 183.1
[M+CH3COO]- 323.15315 201.3
[M+Na-2H]- 285.11397 165.4
[M]+ 264.13875 165.8
[M]- 264.13985 165.8
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