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

1945
Patents

100.10005 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 101.107326 120.2
[M+Na]+ 123.089268 127.2
[M-H]- 99.092774 121.9
[M+NH4]+ 118.133873 143.5
[M+K]+ 139.063208 126.6
[M+H-H2O]+ 83.097310 114.4
[M+HCOO]- 145.098251 142.9
[M+CH3COO]- 159.113901 167.9
[M+Na-2H]- 121.074716 124.8
[M]+ 100.09950142 115.5
[M]- 100.10059858 115.5
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