CID 3016479

1-[2-chloro-3-(2-methylpropoxy)propyl]pyrrolidine

Structural Information

Molecular Formula
C11H22ClNO
SMILES
CC(C)COCC(CN1CCCC1)Cl
InChI
InChI=1S/C11H22ClNO/c1-10(2)8-14-9-11(12)7-13-5-3-4-6-13/h10-11H,3-9H2,1-2H3
InChIKey
HOUFSDUTCAUBHL-UHFFFAOYSA-N
Compound name
1-[2-chloro-3-(2-methylpropoxy)propyl]pyrrolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

28
Patents

219.13899 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.14627 154.7
[M+Na]+ 242.12821 159.2
[M-H]- 218.13171 155.4
[M+NH4]+ 237.17281 174.1
[M+K]+ 258.10215 156.8
[M+H-H2O]+ 202.13625 148.3
[M+HCOO]- 264.13719 168.6
[M+CH3COO]- 278.15284 188.4
[M+Na-2H]- 240.11366 154.3
[M]+ 219.13844 155.5
[M]- 219.13954 155.5
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