CID 427638

Nsc215138

Structural Information

Molecular Formula
C9H18N
SMILES
CC1CC[N+]2(C1CCC2)C
InChI
InChI=1S/C9H18N/c1-8-5-7-10(2)6-3-4-9(8)10/h8-9H,3-7H2,1-2H3/q+1
InChIKey
DRQKXTLUVYCBBY-UHFFFAOYSA-N
Compound name
1,4-dimethyl-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-4-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

140.14392 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 141.15120 131.5
[M+Na]+ 163.13314 138.8
[M-H]- 139.13664 134.6
[M+NH4]+ 158.17774 158.3
[M+K]+ 179.10708 131.8
[M+H-H2O]+ 123.14118 129.3
[M+HCOO]- 185.14212 151.4
[M+CH3COO]- 199.15777 167.5
[M+Na-2H]- 161.11859 137.4
[M]+ 140.14337 126.7
[M]- 140.14447 126.7
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

No patent data available for this compound.