CID 55291495

952652-31-2

Structural Information

Molecular Formula
C4H10ClN
SMILES
CC[C@H](CCl)N
InChI
InChI=1S/C4H10ClN/c1-2-4(6)3-5/h4H,2-3,6H2,1H3/t4-/m1/s1
InChIKey
YCUCPTDUZDXFNU-SCSAIBSYSA-N
Compound name
(2R)-1-chlorobutan-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

107.05018 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 108.057456 120.7
[M+Na]+ 130.039398 128.4
[M-H]- 106.042904 120.6
[M+NH4]+ 125.084003 144.1
[M+K]+ 146.013338 126.6
[M+H-H2O]+ 90.047440 117.4
[M+HCOO]- 152.048381 140.0
[M+CH3COO]- 166.064031 170.0
[M+Na-2H]- 128.024846 126.3
[M]+ 107.04963142 120.4
[M]- 107.05072858 120.4
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.