CID 13171952

4-(pyrrolidin-1-yl)butan-1-ol

Structural Information

Molecular Formula
C8H17NO
SMILES
C1CCN(C1)CCCCO
InChI
InChI=1S/C8H17NO/c10-8-4-3-7-9-5-1-2-6-9/h10H,1-8H2
InChIKey
ONQHKOLMQDHHDN-UHFFFAOYSA-N
Compound name
4-pyrrolidin-1-ylbutan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

295
Patents

143.13101 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 144.138286 134.1
[M+Na]+ 166.120228 139.2
[M-H]- 142.123734 133.9
[M+NH4]+ 161.164833 155.1
[M+K]+ 182.094168 137.9
[M+H-H2O]+ 126.128270 127.9
[M+HCOO]- 188.129211 154.1
[M+CH3COO]- 202.144861 171.2
[M+Na-2H]- 164.105676 137.8
[M]+ 143.13046142 131.4
[M]- 143.13155858 131.4
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