CID 414773

2,2-dimethylpyrrolidine

Structural Information

Molecular Formula
C6H13N
SMILES
CC1(CCCN1)C
InChI
InChI=1S/C6H13N/c1-6(2)4-3-5-7-6/h7H,3-5H2,1-2H3
InChIKey
PHODFIDDEBEGCS-UHFFFAOYSA-N
Compound name
2,2-dimethylpyrrolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

1173
Patents

99.1048 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 100.11208 121.0
[M+Na]+ 122.09402 128.0
[M-H]- 98.097524 121.7
[M+NH4]+ 117.13862 145.9
[M+K]+ 138.06796 126.9
[M+H-H2O]+ 82.102060 116.3
[M+HCOO]- 144.10300 141.6
[M+CH3COO]- 158.11865 162.7
[M+Na-2H]- 120.07947 127.0
[M]+ 99.104251 116.5
[M]- 99.105349 116.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe