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]+ 130.12265 125.7
[M+Na]+ 152.10459 135.8
[M-H]- 128.10809 129.5
[M+NH4]+ 147.14919 144.4
[M+K]+ 168.07853 133.7
[M+H-H2O]+ 112.11263 122.0
[M+HCOO]- 174.11357 148.3
[M+CH3COO]- 188.12922 177.5
[M+Na-2H]- 150.09004 131.6
[M]+ 129.11482 127.7
[M]- 129.11592 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