CID 11715183

Schembl12704660

Structural Information

Molecular Formula
C7H15NO
SMILES
CC1([C@H]([C@H]1CO)CN)C
InChI
InChI=1S/C7H15NO/c1-7(2)5(3-8)6(7)4-9/h5-6,9H,3-4,8H2,1-2H3/t5-,6+/m0/s1
InChIKey
QZQWEXSAVLWUGV-NTSWFWBYSA-N
Compound name
[(1R,3S)-3-(aminomethyl)-2,2-dimethylcyclopropyl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

129.11537 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 130.122646 125.7
[M+Na]+ 152.104588 135.8
[M-H]- 128.108094 129.5
[M+NH4]+ 147.149193 144.4
[M+K]+ 168.078528 133.7
[M+H-H2O]+ 112.112630 122.0
[M+HCOO]- 174.113571 148.3
[M+CH3COO]- 188.129221 177.5
[M+Na-2H]- 150.090036 131.6
[M]+ 129.11482142 127.7
[M]- 129.11591858 127.7
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