CID 83478743

1539197-30-2

Structural Information

Molecular Formula
C7H15NO
SMILES
CC(C)C1(COC1)CN
InChI
InChI=1S/C7H15NO/c1-6(2)7(3-8)4-9-5-7/h6H,3-5,8H2,1-2H3
InChIKey
YSFSJQZZESOLCN-UHFFFAOYSA-N
Compound name
(3-propan-2-yloxetan-3-yl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

129.11537 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 130.122646 129.6
[M+Na]+ 152.104588 134.3
[M-H]- 128.108094 133.3
[M+NH4]+ 147.149193 145.2
[M+K]+ 168.078528 138.4
[M+H-H2O]+ 112.112630 120.3
[M+HCOO]- 174.113571 150.0
[M+CH3COO]- 188.129221 178.1
[M+Na-2H]- 150.090036 135.7
[M]+ 129.11482142 136.8
[M]- 129.11591858 136.8
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