CID 83681711

3-isopropyloxetan-3-amine hydrochloride

Structural Information

Molecular Formula
C6H13NO
SMILES
CC(C)C1(COC1)N
InChI
InChI=1S/C6H13NO/c1-5(2)6(7)3-8-4-6/h5H,3-4,7H2,1-2H3
InChIKey
DCBZHWMKQLLNHA-UHFFFAOYSA-N
Compound name
3-propan-2-yloxetan-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

33
Patents

115.09972 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 116.106996 124.9
[M+Na]+ 138.088938 130.0
[M-H]- 114.092444 128.8
[M+NH4]+ 133.133543 141.1
[M+K]+ 154.062878 134.3
[M+H-H2O]+ 98.096980 115.8
[M+HCOO]- 160.097921 145.6
[M+CH3COO]- 174.113571 175.1
[M+Na-2H]- 136.074386 131.6
[M]+ 115.09917142 131.7
[M]- 115.10026858 131.7
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