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

8
Patents

129.11537 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 130.12265 130.2
[M+Na]+ 152.10459 136.1
[M-H]- 128.10809 129.4
[M+NH4]+ 147.14919 153.1
[M+K]+ 168.07853 134.6
[M+H-H2O]+ 112.11263 125.5
[M+HCOO]- 174.11357 148.1
[M+CH3COO]- 188.12922 165.9
[M+Na-2H]- 150.09004 133.9
[M]+ 129.11482 124.9
[M]- 129.11592 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