CID 57497867

1018442-97-1

Structural Information

Molecular Formula
C7H15NO
SMILES
CC(C)C1(CCNC1)O
InChI
InChI=1S/C7H15NO/c1-6(2)7(9)3-4-8-5-7/h6,8-9H,3-5H2,1-2H3
InChIKey
AFHVYUHFILFRTI-UHFFFAOYSA-N
Compound name
3-propan-2-ylpyrrolidin-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

129.11537 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 130.122646 130.2
[M+Na]+ 152.104588 136.1
[M-H]- 128.108094 129.4
[M+NH4]+ 147.149193 153.1
[M+K]+ 168.078528 134.6
[M+H-H2O]+ 112.112630 125.5
[M+HCOO]- 174.113571 148.1
[M+CH3COO]- 188.129221 165.9
[M+Na-2H]- 150.090036 133.9
[M]+ 129.11482142 124.9
[M]- 129.11591858 124.9
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