CID 124660513

Rac-(3r,4s)-4-(prop-2-en-1-yl)oxolan-3-amine, cis

Structural Information

Molecular Formula
C7H13NO
SMILES
C=CC[C@H]1COC[C@H]1N
InChI
InChI=1S/C7H13NO/c1-2-3-6-4-9-5-7(6)8/h2,6-7H,1,3-5,8H2/t6-,7+/m0/s1
InChIKey
MJLISZGZGOYKED-NKWVEPMBSA-N
Compound name
(3S,4R)-4-prop-2-enyloxolan-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

127.09972 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 128.106996 127.3
[M+Na]+ 150.088938 133.7
[M-H]- 126.092444 130.7
[M+NH4]+ 145.133543 149.4
[M+K]+ 166.062878 133.3
[M+H-H2O]+ 110.096980 122.2
[M+HCOO]- 172.097921 150.1
[M+CH3COO]- 186.113571 172.4
[M+Na-2H]- 148.074386 131.8
[M]+ 127.09917142 124.1
[M]- 127.10026858 124.1
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

No patent data available for this compound.