CID 135323783

2088415-04-5

Structural Information

Molecular Formula
C5H11NO
SMILES
COC[C@H]1C[C@@H]1N
InChI
InChI=1S/C5H11NO/c1-7-3-4-2-5(4)6/h4-5H,2-3,6H2,1H3/t4-,5+/m1/s1
InChIKey
QFUWGKZFJBYYGC-UHNVWZDZSA-N
Compound name
(1S,2S)-2-(methoxymethyl)cyclopropan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

101.08406 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 102.09134 118.6
[M+Na]+ 124.07328 128.3
[M-H]- 100.07678 123.3
[M+NH4]+ 119.11788 136.8
[M+K]+ 140.04722 126.8
[M+H-H2O]+ 84.081320 113.2
[M+HCOO]- 146.08226 143.7
[M+CH3COO]- 160.09791 173.5
[M+Na-2H]- 122.05873 125.4
[M]+ 101.08351 120.8
[M]- 101.08461 120.8
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