CID 4331746

2-tert-butylpyrrolidine

Structural Information

Molecular Formula
C8H17N
SMILES
CC(C)(C)C1CCCN1
InChI
InChI=1S/C8H17N/c1-8(2,3)7-5-4-6-9-7/h7,9H,4-6H2,1-3H3
InChIKey
IQJZUYFOSMJZSV-UHFFFAOYSA-N
Compound name
2-tert-butylpyrrolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

473
Patents

127.1361 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 128.14338 131.4
[M+Na]+ 150.12532 137.2
[M-H]- 126.12882 131.7
[M+NH4]+ 145.16992 153.4
[M+K]+ 166.09926 135.8
[M+H-H2O]+ 110.13336 126.2
[M+HCOO]- 172.13430 149.7
[M+CH3COO]- 186.14995 168.8
[M+Na-2H]- 148.11077 135.9
[M]+ 127.13555 126.8
[M]- 127.13665 126.8
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