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]+ 173.164836 141.7
[M+Na]+ 195.146778 146.5
[M-H]- 171.150284 141.2
[M+NH4]+ 190.191383 161.3
[M+K]+ 211.120718 144.4
[M+H-H2O]+ 155.154820 135.1
[M+HCOO]- 217.155761 161.8
[M+CH3COO]- 231.171411 179.5
[M+Na-2H]- 193.132226 143.7
[M]+ 172.15701142 138.1
[M]- 172.15810858 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