CID 58858774

3-[2-(aminomethyl)pyrrolidin-1-yl]propan-1-ol

Structural Information

Molecular Formula
C8H18N2O
SMILES
C1CC(N(C1)CCCO)CN
InChI
InChI=1S/C8H18N2O/c9-7-8-3-1-4-10(8)5-2-6-11/h8,11H,1-7,9H2
InChIKey
RAYGQIXIIBTRCF-UHFFFAOYSA-N
Compound name
3-[2-(aminomethyl)pyrrolidin-1-yl]propan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

158.1419 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 159.14918 137.3
[M+Na]+ 181.13112 142.5
[M-H]- 157.13462 136.9
[M+NH4]+ 176.17572 157.4
[M+K]+ 197.10506 140.6
[M+H-H2O]+ 141.13916 130.9
[M+HCOO]- 203.14010 157.7
[M+CH3COO]- 217.15575 176.5
[M+Na-2H]- 179.11657 139.7
[M]+ 158.14135 133.2
[M]- 158.14245 133.2
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