CID 18940396

1-methylpyrrolidin-3-amine

Structural Information

Molecular Formula
C5H12N2
SMILES
CN1CCC(C1)N
InChI
InChI=1S/C5H12N2/c1-7-3-2-5(6)4-7/h5H,2-4,6H2,1H3
InChIKey
UNHOPMIDKWXFMF-UHFFFAOYSA-N
Compound name
1-methylpyrrolidin-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1353
Patents

100.10005 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 101.10733 119.9
[M+Na]+ 123.08927 129.4
[M+NH4]+ 118.13387 128.9
[M+K]+ 139.06321 125.9
[M-H]- 99.092774 121.4
[M+Na-2H]- 121.07472 124.6
[M]+ 100.09950 121.4
[M]- 100.10060 121.4
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