CID 14435658

1-(propan-2-yl)cyclopropan-1-ol

Structural Information

Molecular Formula
C6H12O
SMILES
CC(C)C1(CC1)O
InChI
InChI=1S/C6H12O/c1-5(2)6(7)3-4-6/h5,7H,3-4H2,1-2H3
InChIKey
HWUUJXHUDBJPRY-UHFFFAOYSA-N
Compound name
1-propan-2-ylcyclopropan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

290
Patents

100.08881 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 101.09609 120.0
[M+Na]+ 123.07803 129.3
[M-H]- 99.081534 124.0
[M+NH4]+ 118.12263 139.8
[M+K]+ 139.05197 128.7
[M+H-H2O]+ 83.086070 116.2
[M+HCOO]- 145.08701 141.7
[M+CH3COO]- 159.10266 169.3
[M+Na-2H]- 121.06348 127.2
[M]+ 100.08826 121.9
[M]- 100.08936 121.9
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