CID 20672251

1-(2-methylpropyl)pyrrolidin-3-ol

Structural Information

Molecular Formula
C8H17NO
SMILES
CC(C)CN1CCC(C1)O
InChI
InChI=1S/C8H17NO/c1-7(2)5-9-4-3-8(10)6-9/h7-8,10H,3-6H2,1-2H3
InChIKey
JIJMHLNVPUQWOG-UHFFFAOYSA-N
Compound name
1-(2-methylpropyl)pyrrolidin-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

118
Patents

143.13101 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 144.138286 134.1
[M+Na]+ 166.120228 140.0
[M-H]- 142.123734 134.5
[M+NH4]+ 161.164833 155.5
[M+K]+ 182.094168 139.1
[M+H-H2O]+ 126.128270 128.4
[M+HCOO]- 188.129211 153.2
[M+CH3COO]- 202.144861 173.1
[M+Na-2H]- 164.105676 136.0
[M]+ 143.13046142 131.2
[M]- 143.13155858 131.2
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