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

26
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 134.4
[M+Na]+ 166.12023 140.7
[M-H]- 142.12373 133.7
[M+NH4]+ 161.16483 157.1
[M+K]+ 182.09417 139.0
[M+H-H2O]+ 126.12827 130.4
[M+HCOO]- 188.12921 151.5
[M+CH3COO]- 202.14486 167.7
[M+Na-2H]- 164.10568 139.8
[M]+ 143.13046 129.7
[M]- 143.13156 129.7
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

patents stripe