CID 55296408

3-tert-butylpyrrolidin-3-ol hydrochloride

Structural Information

Molecular Formula
C8H17NO
SMILES
CC(C)(C)C1(CCNC1)O
InChI
InChI=1S/C8H17NO/c1-7(2,3)8(10)4-5-9-6-8/h9-10H,4-6H2,1-3H3
InChIKey
NWJWKBSTUFVBQB-UHFFFAOYSA-N
Compound name
3-tert-butylpyrrolidin-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

32
Patents

143.13101 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 144.13829 133.1
[M+Na]+ 166.12023 141.4
[M+NH4]+ 161.16483 142.2
[M+K]+ 182.09417 137.2
[M-H]- 142.12373 132.2
[M+Na-2H]- 164.10568 137.8
[M]+ 143.13046 133.9
[M]- 143.13156 133.9
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