CID 18550857

[1-(4-aminobutyl)pyrrolidin-2-yl]methanol

Structural Information

Molecular Formula
C9H20N2O
SMILES
C1CC(N(C1)CCCCN)CO
InChI
InChI=1S/C9H20N2O/c10-5-1-2-6-11-7-3-4-9(11)8-12/h9,12H,1-8,10H2
InChIKey
KVKGILOIRYSBOH-UHFFFAOYSA-N
Compound name
[1-(4-aminobutyl)pyrrolidin-2-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

172.15756 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.16484 141.7
[M+Na]+ 195.14678 146.5
[M-H]- 171.15028 141.2
[M+NH4]+ 190.19138 161.3
[M+K]+ 211.12072 144.4
[M+H-H2O]+ 155.15482 135.1
[M+HCOO]- 217.15576 161.8
[M+CH3COO]- 231.17141 179.5
[M+Na-2H]- 193.13223 143.7
[M]+ 172.15701 138.1
[M]- 172.15811 138.1
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