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]+ 128.10700 127.3
[M+Na]+ 150.08894 133.7
[M-H]- 126.09244 130.7
[M+NH4]+ 145.13354 149.4
[M+K]+ 166.06288 133.3
[M+H-H2O]+ 110.09698 122.2
[M+HCOO]- 172.09792 150.1
[M+CH3COO]- 186.11357 172.4
[M+Na-2H]- 148.07439 131.8
[M]+ 127.09917 124.1
[M]- 127.10027 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.