CID 108876

1-(3-methylbutyl)pyrrolidine

Structural Information

Molecular Formula
C9H17NO
SMILES
CC(C)CC(=O)N1CCCC1
InChI
InChI=1S/C9H17NO/c1-8(2)7-9(11)10-5-3-4-6-10/h8H,3-7H2,1-2H3
InChIKey
RAPTZNFAMIHBTG-UHFFFAOYSA-N
Compound name
3-methyl-1-pyrrolidin-1-ylbutan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

236
Patents

155.13101 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 156.138286 137.9
[M+Na]+ 178.120228 143.0
[M-H]- 154.123734 139.3
[M+NH4]+ 173.164833 159.1
[M+K]+ 194.094168 142.6
[M+H-H2O]+ 138.128270 131.7
[M+HCOO]- 200.129211 157.3
[M+CH3COO]- 214.144861 177.0
[M+Na-2H]- 176.105676 139.2
[M]+ 155.13046142 135.5
[M]- 155.13155858 135.5
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