CID 21978903

[1-(propan-2-yl)pyrrolidin-3-yl]methanamine

Structural Information

Molecular Formula
C8H18N2
SMILES
CC(C)N1CCC(C1)CN
InChI
InChI=1S/C8H18N2/c1-7(2)10-4-3-8(5-9)6-10/h7-8H,3-6,9H2,1-2H3
InChIKey
DJCJZTOPDLHBRF-UHFFFAOYSA-N
Compound name
(1-propan-2-ylpyrrolidin-3-yl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

95
Patents

142.147 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 143.154276 134.7
[M+Na]+ 165.136218 140.2
[M-H]- 141.139724 135.9
[M+NH4]+ 160.180823 156.2
[M+K]+ 181.110158 139.2
[M+H-H2O]+ 125.144260 128.4
[M+HCOO]- 187.145201 155.4
[M+CH3COO]- 201.160851 177.9
[M+Na-2H]- 163.121666 136.3
[M]+ 142.14645142 130.4
[M]- 142.14754858 130.4
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